N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C12H15N3O2S — CID 70901923

IUPACN,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N(C)C)cc2)n[nH]1
InChIInChI=1S/C12H15N3O2S/c1-9-8-12(14-13-9)10-4-6-11(7-5-10)18(16,17)15(2)3/h4-8H,1-3H3,(H,13,14)
InChIKeyAYDBVKVBTGZYHI-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.64
Rot. Bonds3

About N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 70901923) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID70901923
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N(C)C)cc2)n[nH]1
InChIInChI=1S/C12H15N3O2S/c1-9-8-12(14-13-9)10-4-6-11(7-5-10)18(16,17)15(2)3/h4-8H,1-3H3,(H,13,14)
InChIKeyAYDBVKVBTGZYHI-UHFFFAOYSA-N
XLogP1.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1-(toluene-4-sulfonyl)-1H-pyrazole
CID 261702
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 6624522
3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
N-[2-(3,5-diphenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56659731
N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56680214
MEK4 inhibitor-1
CID 155424828
1-(4-tert-butylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 891839
3-Methyl-1-tosyl-1H-pyrazol-5-amine
CID 1253444
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 6602881
1-(3,4-Dimethyl-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 786057
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)indoline
CID 866895
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237078

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 70901923) is N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(-c2ccc(S(=O)(=O)N(C)C)cc2)n[nH]1.
What is the InChIKey of N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is AYDBVKVBTGZYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-8-12(14-13-9)10-4-6-11(7-5-10)18(16,17)15(2)3/h4-8H,1-3H3,(H,13,14).
What are the key properties of N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 70901923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).